SCHEMBL321965

SCHEMBL321965

O=CC(Br)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTR2A P28223 1/20 0.35
CNR1 P21554 2/20 0.34
ALOX5 P09917 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22590138 1.00 CYP2A6 (0.40) CYP2A6CYP1A2CYP2C19HTR2ACNR1
SCHEMBL1440680 0.82 ACP3 (0.31)
SCHEMBL579790 0.82 ACP3 (0.31)
SCHEMBL524745 0.79 CYP2A6 (0.43) CYP2A6ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20550831 0.78 IDO1 (0.38) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL21597319 0.78 CYP2A6 (0.42) CYP2A6ALOX5CES2CES1ALDH1A1
SCHEMBL21834675 0.78 ESR1 (0.44) CYP1A2CYP2C19ALDH1A1ALOX15MEN1
SCHEMBL191880 0.78 GSK3B (0.40) CNR1
SCHEMBL168223 0.78 IDO1 (0.38) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL1505157 0.78 TYR (0.54) ALDH1A1MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015157360-A1 PROCESSES TO MAKE PROTEIN KINASE INHIBITORS ABBVIE INC. (US) 2015-10-15 WO claimed
EP-4587021-A1 TREATING PKU WITH CORRECTORS OF MAMMALIAN SLC6A19 FUNCTION Jnana Therapeutics Inc. (US) 2025-07-23 EP disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
EP-4341252-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 EP disclosed
WO-2024059005-A1 TREATING PKU WITH CORRECTORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. (US) 2024-03-21 WO disclosed
EP-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 CN disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
WO-2022243346-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-11-24 WO disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
CN-1496255-A Inhibition of NF-KB by triterpene compositions �������о�����չ˽�����޹�˾ 2004-05-12 CN disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 WO disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed
CN-1307473-A Triterpene compositions and methods of their use RES DEV FOUDATION (US) 2001-08-08 CN disclosed
EP-1104760-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885CYP1A2 2089/4885CYP2C19 3145/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885CYP1A2 2089/4885CYP2C19 3145/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885CYP1A2 2383/4885CYP2C19 3554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.